Laser-induced desorption of NO from NiO(100): Ab initio- and wave packet calculations

Proceedings of SPIE - The International Society for Optical Engineering

Volumn 3272, Issue , 1998, Pages 177-186

  Kluner T ^a   Thiel, S ^a   Freund, H J ^a   Staemmler, V ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

Ab initio calculations; Theory of DIET; Wavepacket dynamics

Indexed keywords

CHARGE TRANSFER; DESORPTION; NICKEL COMPOUNDS; NITROGEN OXIDES; POTENTIAL ENERGY; ULTRAVIOLET RADIATION; WAVE EFFECTS;

WAVE PACKETS;

LASER BEAM EFFECTS;

EID: 0032226288     PISSN: 0277786X     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1117/12.307120     Document Type: Conference Paper

References (29)

1. State resolved studies of photochemical dynamic at surfaces
2. Desorption from metal surfaces by low-energy electrons
3. Quantum theory of electron stimulated desorption
4. Beyond MGR: Wave packet squeezing
5. Photodesorption of neutrals from metal surfaces: A wave packet study
6. Two-dimensional wave packet studies of photon-stimulated desorption of NO from a metal surface induced by single and multiple electronic excitations
7. Hot electron mediated photodesorption: A time-dependent approach applied to NO/Pt(111)
8. Laser-induced desorption of NO from NiO(100): Ab initio calculations of potential surfaces for intermediate excited states
9. Laser Induced Desorption of NO from NiO(100): Characterization of potential energy surfaces of excited states
10. Theoretical investigation of laser induced desorption of small molecules from oxide surfaces: A first principles study
11. Bimodal velocity distributions after ultraviolet-laserinduced desorption of NO from oxide surfaces. Experiments and results of model calculations
12. The state of surface structural chemistry: Theory, experiment and results
13. Open shell restricted SCF calculations for rotation barriers about C-C double bonds
14. An efficient first-order CASSCF method based on the renormalized Fock-operator technique
15. Graphical techniques in the configuration interaction approach based on pure slater determinants
16. Gaussian basis sets for molecular wavefunctions containing third-row atoms
17. Vibrational excitation dynamics in photodesorption
18. Electronic surface states of NiO(100)
19. Time-dependent quantum-mechanical methods for molecular dynamics
20. An accurate and efficient scheme for propagating the time dependent Schrödinger equation
21. An efficient procedure for calculating the evolution of the wave function by fast Fourier transform methods for systems with spatially extended wave function and localized potential
22. Laser-excited hot-electron induced desorption: A theoretical model applied to NO/Pt(111)
23. Open-system quantum dynamics for laser-induced DIET and DIMET
24. Computer simulations of state-specific laser-induced desorption of NO from NiO
25. Molecular adsorption on oxide surfaces: Electronic structure and orientation of NO an NiO(100)/Ni(100) and on NiO(100) as determined from electron spectroscopies and ab initio cluster calculations